# generated using pymatgen data_Li5Zr6Zn18C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62570771 _cell_length_b 8.61996642 _cell_length_c 8.60864206 _cell_angle_alpha 60.04344116 _cell_angle_beta 60.06541812 _cell_angle_gamma 60.07840420 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Zr6Zn18C _chemical_formula_sum 'Li5 Zr6 Zn18 C1' _cell_volume 453.24585159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.12151879 0.12076683 0.11787324 1.0 Li Li1 1 0.87535982 0.88045065 0.88128995 1.0 Li Li2 1 0.12151879 0.12076683 0.63984314 1.0 Li Li3 1 0.12323215 0.63815437 0.11930724 1.0 Li Li4 1 0.87535982 0.88045065 0.36289858 1.0 Zr Zr5 1 0.68778630 0.31276732 0.30757939 1.0 Zr Zr6 1 0.31498841 0.68757768 0.68692589 1.0 Zr Zr7 1 0.31498841 0.68757768 0.31050803 1.0 Zr Zr8 1 0.68778630 0.31276732 0.69186698 1.0 Zr Zr9 1 0.30952093 0.31068411 0.68989748 1.0 Zr Zr10 1 0.68440182 0.68968974 0.31295422 1.0 Zn Zn11 1 0.88484666 0.35512852 0.88001141 1.0 Zn Zn12 1 0.64763786 0.11370649 0.11932882 1.0 Zn Zn13 1 0.35485273 0.88133467 0.88190480 1.0 Zn Zn14 1 0.49875154 0.00229474 0.99872999 1.0 Zn Zn15 1 0.99980565 0.49890654 0.50167675 1.0 Zn Zn16 1 0.99980565 0.49890654 0.99961107 1.0 Zn Zn17 1 0.49875154 0.00229474 0.50022473 1.0 Zn Zn18 1 0.99781284 0.00336716 0.49941050 1.0 Zn Zn19 1 0.50168649 0.49842135 0.99994658 1.0 Zn Zn20 1 0.32707812 0.33043900 0.32986045 1.0 Zn Zn21 1 0.67160456 0.67204744 0.66858354 1.0 Zn Zn22 1 0.32707812 0.33043900 0.01262343 1.0 Zn Zn23 1 0.32589526 0.01301032 0.33054771 1.0 Zn Zn24 1 0.67160456 0.67204744 0.98776345 1.0 Zn Zn25 1 0.67251872 0.98777110 0.66985459 1.0 Zn Zn26 1 0.01313347 0.32989063 0.32848845 1.0 Zn Zn27 1 0.98781179 0.67478868 0.66869926 1.0 Zn Zn28 1 0.00165436 0.99770128 0.00032218 1.0 C C29 1 0.50120755 0.49585315 0.50146915 1.0